(4S)-8'-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]

C18H13F7N2 — CID 166499607

IUPAC(4S)-8'-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFC1=CC(C(F)(F)F)=CN2C[C@@]3(CCCc4cc(C(F)(F)F)ccc43)N=C12
InChIInChI=1S/C18H13F7N2/c19-14-7-12(18(23,24)25)8-27-9-16(26-15(14)27)5-1-2-10-6-11(17(20,21)22)3-4-13(10)16/h3-4,6-8H,1-2,5,9H2/t16-/m1/s1
InChIKeyKBXCYDXBKVTYHF-MRXNPFEDSA-N
MW390.30 g/mol
LogP5.26
Rot. Bonds

About (4S)-8'-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]

(4S)-8'-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] (PubChem CID 166499607) has the molecular formula C18H13F7N2 and a molecular weight of 390.30 g/mol. Its IUPAC name is (4S)-8'-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine].

Molecular Properties

Compound Name(4S)-8'-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
PubChem CID166499607
Molecular FormulaC18H13F7N2
Molecular Weight390.30 g/mol
Exact Mass390.10
IUPAC Name(4S)-8'-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]
SMILESFC1=CC(C(F)(F)F)=CN2C[C@@]3(CCCc4cc(C(F)(F)F)ccc43)N=C12
InChIInChI=1S/C18H13F7N2/c19-14-7-12(18(23,24)25)8-27-9-16(26-15(14)27)5-1-2-10-6-11(17(20,21)22)3-4-13(10)16/h3-4,6-8H,1-2,5,9H2/t16-/m1/s1
InChIKeyKBXCYDXBKVTYHF-MRXNPFEDSA-N
XLogP5.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.30
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S)-8'-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-8'-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The IUPAC name of (4S)-8'-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] (CID 166499607) is (4S)-8'-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine].
What is the SMILES notation for (4S)-8'-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The canonical SMILES for (4S)-8'-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] is FC1=CC(C(F)(F)F)=CN2C[C@@]3(CCCc4cc(C(F)(F)F)ccc43)N=C12.
What is the InChIKey of (4S)-8'-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
The InChIKey is KBXCYDXBKVTYHF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H13F7N2/c19-14-7-12(18(23,24)25)8-27-9-16(26-15(14)27)5-1-2-10-6-11(17(20,21)22)3-4-13(10)16/h3-4,6-8H,1-2,5,9H2/t16-/m1/s1.
What are the key properties of (4S)-8'-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine]?
(4S)-8'-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] has a molecular weight of 390.30 g/mol, XLogP of 5.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8'-fluoro-6',7-bis(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-3H-imidazo[1,2-a]pyridine] is sourced from PubChem (CID 166499607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).